SCHEMBL17949557

SCHEMBL17949557

O=Nc1c(O)ccc2c1oc(=O)c1cc(O)c(O)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 3/20 0.66
GALNT2 Q10471 2/20 0.66
GALNT1 Q10472 1/20 0.66
GALNT3 Q14435 1/20 0.66
GALNT10 Q86SR1 1/20 0.66
GALNT13 Q8IUC8 1/20 0.66
GALNT6 Q8NCL4 1/20 0.66
GALNT14 Q96FL9 1/20 0.66
ESR2 Q92731 15/20 0.48
ESR1 P03372 12/20 0.48
CSNK2A1 P68400 2/20 0.48
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
PLK4 O00444 1/20 0.42
IKBKB O14920 1/20 0.42
AURKA O14965 1/20 0.42
CA12 O43570 1/20 0.42
NUAK1 O60285 1/20 0.42
USP2 O75604 1/20 0.42
GSR P00390 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29370098 0.80 PKLR (1.00) PKLRGALNT2GALNT1GALNT3GALNT10
SCHEMBL7980209 0.80 PKLR (1.00) PKLRGALNT2GALNT1GALNT3GALNT10
SCHEMBL22619263 0.75 ESR2 (0.43) PKLRGALNT2GALNT1GALNT3GALNT10
SCHEMBL8188021 0.72 PTGS2 (0.51) ESR2KDM4EMEN1CA12CA1
SCHEMBL10561648 0.72 MAOB (0.65) KDM4ELMNATP53GAAMAPT
SCHEMBL22431062 0.70 ESR2 (0.76) PKLRGALNT2GALNT1GALNT3GALNT10
SCHEMBL26768213 0.70 PKLR (0.79) PKLRGALNT2GALNT1GALNT3GALNT10
SCHEMBL2922254 0.68 HSP90AA1 (0.50) KDM4EMEN1AURKAUSP2LMNA
SCHEMBL29369342 0.66 PKLR (1.00) PKLRGALNT2GALNT1GALNT3GALNT10
SCHEMBL15423100 0.66 PKLR (1.00) PKLRGALNT2GALNT1GALNT3GALNT10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160213643-A1 Compositions and Methods for Improving Mitochondrial Function and Treating Neurodegenerative Diseases and Cognitive Disorders AMAZENTIS SA (CH) 2016-07-28 US disclosed
US-20160213641-A1 Compositions and Methods for Improving Mitochondrial Function and Treating Neurodegenerative Diseases and Cognitive Disorders ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160213643-A1 Compositions and Methods for Improving Mitochondrial Function and Treating Neurodegenerative Diseases and Cognitive Disorders NLN, TUFM, TFAM PKLR 1697/4885GALNT2 738/4885GALNT1 627/4885
US-20160213641-A1 Compositions and Methods for Improving Mitochondrial Function and Treating Neurodegenerative Diseases and Cognitive Disorders NLN, TUFM, TFAM PKLR 1697/4885GALNT2 738/4885GALNT1 627/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.